Tacedinaline

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

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Name
Tacedinaline
Accession Number
DB12291
Type
Small Molecule
Groups
Investigational
Description

Tacedinaline has been used in trials studying the treatment of Lung Cancer, Multiple Myeloma, and Pancreatic Cancer.

Structure
Thumb
Synonyms
  • tacedinalina
  • Tacedinaline
Categories
Not Available
UNII
UMF554N5FG
CAS number
112522-64-2
Weight
Average: 269.304
Monoisotopic: 269.116426735
Chemical Formula
C15H15N3O2
InChI Key
VAZAPHZUAVEOMC-UHFFFAOYSA-N
InChI
InChI=1S/C15H15N3O2/c1-10(19)17-12-8-6-11(7-9-12)15(20)18-14-5-3-2-4-13(14)16/h2-9H,16H2,1H3,(H,17,19)(H,18,20)
IUPAC Name
N-(2-aminophenyl)-4-acetamidobenzamide
SMILES
CC(=O)NC1=CC=C(C=C1)C(=O)NC1=CC=CC=C1N

Pharmacology

Indication
Not Available
Pharmacodynamics
Not Available
Mechanism of action
Not Available
Absorption
Not Available
Volume of distribution
Not Available
Protein binding
Not Available
Metabolism
Not Available
Route of elimination
Not Available
Half life
Not Available
Clearance
Not Available
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
2746
PubChem Substance
347828559
ChemSpider
2644
BindingDB
19422
ChEBI
90195
ChEMBL
CHEMBL235191

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentMalignant Neoplasm of Pancreas1
2CompletedTreatmentMultiple Myeloma (MM)1
3CompletedTreatmentLung Cancers1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0351 mg/mLALOGPS
logP1.51ALOGPS
logP1.47ChemAxon
logS-3.9ALOGPS
pKa (Strongest Acidic)13.48ChemAxon
pKa (Strongest Basic)3.24ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area84.22 Å2ChemAxon
Rotatable Bond Count3ChemAxon
Refractivity81.15 m3·mol-1ChemAxon
Polarizability29.02 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Anilides
Direct Parent
Benzanilides
Alternative Parents
Benzamides / Benzoyl derivatives / Aniline and substituted anilines / Secondary carboxylic acid amides / Amino acids and derivatives / Propargyl-type 1,3-dipolar organic compounds / Carboximidic acids / Primary amines / Organopnictogen compounds / Organooxygen compounds
show 2 more
Substituents
Benzanilide / Benzamide / Benzoic acid or derivatives / Benzoyl / Aniline or substituted anilines / Carboxamide group / Amino acid or derivatives / Secondary carboxylic acid amide / Carboximidic acid / Carboximidic acid derivative
show 13 more
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 15:50 / Updated on June 04, 2019 07:35